SCHEMBL5884559

SCHEMBL5884559

O=C(CCCCl)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.66
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
MAOB P27338 1/20 0.60
PARP10 Q53GL7 1/20 0.60
SRD5A2 P31213 1/20 0.59
PLA2G4B P0C869 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7342141 0.86 NR4A2 (0.70) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL1557011 0.84 FFAR1 (0.71) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL958582 0.84 EGFR (0.69) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL6811506 0.84 EGFR (0.69) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL27517502 0.83 EGFR (0.68) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL4152328 0.83 EGFR (0.72) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL9047885 0.83 NR4A1 (0.57) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL5661734 0.83 MMP1 (0.60) PARP10SRD5A2GAAMAPTRAB9A
SCHEMBL6899078 0.82 NR4A1 (0.56) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL11290489 0.82 EGFR (0.66) EGFRNR4A1NR4A2NR4A3MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 EGFR 1998/4885NR4A1 2177/4885NR4A2 3280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.